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191591-43-2

191591-43-2 | Benzene, [(3-chloro-4,4,4-trifluoro-2-buten-1-yl)sulfonyl]-

CAS No: 191591-43-2 Catalog No: AG002FC2 MDL No:

Product Description

Catalog Number:
AG002FC2
Chemical Name:
Benzene, [(3-chloro-4,4,4-trifluoro-2-buten-1-yl)sulfonyl]-
CAS Number:
191591-43-2
Molecular Formula:
C10H8ClF3O2S
Molecular Weight:
284.6825
IUPAC Name:
(3-chloro-4,4,4-trifluorobut-2-enyl)sulfonylbenzene
InChI:
InChI=1S/C10H8ClF3O2S/c11-9(10(12,13)14)6-7-17(15,16)8-4-2-1-3-5-8/h1-6H,7H2
InChI Key:
ZNJKMJPPHVMUMI-UHFFFAOYSA-N
SMILES:
ClC(=CCS(=O)(=O)c1ccccc1)C(F)(F)F

Properties

Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.989g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.677g/mol
Monoisotopic Mass:
283.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3  

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